CID 16776024

3-[(4-methylphenyl)methoxy]aniline

Structural Information

Molecular Formula
C14H15NO
SMILES
CC1=CC=C(C=C1)COC2=CC=CC(=C2)N
InChI
InChI=1S/C14H15NO/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-9H,10,15H2,1H3
InChIKey
DCFWNBWAFKVXFO-UHFFFAOYSA-N
Compound name
3-[(4-methylphenyl)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

213.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 147.3
[M+Na]+ 236.10459 155.0
[M-H]- 212.10809 153.8
[M+NH4]+ 231.14919 165.6
[M+K]+ 252.07853 151.2
[M+H-H2O]+ 196.11263 140.0
[M+HCOO]- 258.11357 172.4
[M+CH3COO]- 272.12922 190.5
[M+Na-2H]- 234.09004 153.3
[M]+ 213.11482 146.9
[M]- 213.11592 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe